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Isoxazoles

Aromatic organic heterocyclic compounds that consist of an azole with a nitrogen atom and an oxygen atom with the formula: C3H3NO.
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1 – 15 of 102 results
1

2-Methyl-2-phenylpropylmagnesium chloride, 0.5M solution in diethyl ether, AcroSeal™

CAS: 35293-35-7 Molecular Formula: C10H13ClMg Molecular Weight (g/mol): 192.97 MDL Number: MFCD00075586 InChI Key: BXKYFONHSSFLKR-UHFFFAOYSA-M Synonym: neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether PubChem CID: 118802 IUPAC Name: magnesium;2-methanidylpropan-2-ylbenzene;chloride SMILES: CC(C)(C[Mg]Cl)C1=CC=CC=C1

PubChem CID 118802
CAS 35293-35-7
Molecular Weight (g/mol) 192.97
MDL Number MFCD00075586
SMILES CC(C)(C[Mg]Cl)C1=CC=CC=C1
Synonym neophylmagnesium chloride,chloro 2-methyl-2-phenylpropyl magnesium,magnesium, chloro 2-methyl-2-phenylpropyl,2-methyl-2-phenylpropylmagnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution,neophyl magnesium chloride,bxkyfonhssflkr-uhfffaoysa-m,2-methyl-2-phenylpropyl magnesium chloride,2-methyl-2-phenyl-propanyl magnesium chloride,2-methyl-2-phenylpropylmagnesium chloride solution, 0.5 m in diethyl ether
IUPAC Name magnesium;2-methanidylpropan-2-ylbenzene;chloride
InChI Key BXKYFONHSSFLKR-UHFFFAOYSA-M
Molecular Formula C10H13ClMg
2

3-Hydroxy-5-methylisoxazole, 97%

CAS: 10004-44-1 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.089 MDL Number: MFCD00144468 InChI Key: KGVPNLBXJKTABS-UHFFFAOYSA-N Synonym: hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone PubChem CID: 24781 ChEBI: CHEBI:5827 IUPAC Name: 5-methyl-1,2-oxazol-3-one SMILES: CC1=CC(=O)NO1

PubChem CID 24781
CAS 10004-44-1
Molecular Weight (g/mol) 99.089
ChEBI CHEBI:5827
MDL Number MFCD00144468
SMILES CC1=CC(=O)NO1
Synonym hymexazol,3-hydroxy-5-methylisoxazole,hymexazole,5-methylisoxazol-3-ol,5-methylisoxazol-3 2h-one,hydroxyisoxazole,tachigaren,itachigarden,5-methyl-3-hydroxyisoxazole,5-methyl-3 2h-isoxazolone
IUPAC Name 5-methyl-1,2-oxazol-3-one
InChI Key KGVPNLBXJKTABS-UHFFFAOYSA-N
Molecular Formula C4H5NO2
3

4-(Bromomethyl)-5-methyl-3-phenylisoxazole, 97%, Thermo Scientific™

CAS: 180597-83-5 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.11 MDL Number: MFCD02677680 InChI Key: UICMWXWMCOJBIQ-UHFFFAOYSA-N PubChem CID: 2776147 IUPAC Name: 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole SMILES: CC1=C(CBr)C(=NO1)C1=CC=CC=C1

PubChem CID 2776147
CAS 180597-83-5
Molecular Weight (g/mol) 252.11
MDL Number MFCD02677680
SMILES CC1=C(CBr)C(=NO1)C1=CC=CC=C1
IUPAC Name 4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI Key UICMWXWMCOJBIQ-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
4

Isoxazole-5-carboxylic acid, 98%

CAS: 21169-71-1 Molecular Formula: C4H3NO3 Molecular Weight (g/mol): 113.072 MDL Number: MFCD00156151 InChI Key: MIIQJAUWHSUTIT-UHFFFAOYSA-N Synonym: isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h PubChem CID: 2060599 IUPAC Name: 1,2-oxazole-5-carboxylic acid SMILES: C1=C(ON=C1)C(=O)O

PubChem CID 2060599
CAS 21169-71-1
Molecular Weight (g/mol) 113.072
MDL Number MFCD00156151
SMILES C1=C(ON=C1)C(=O)O
Synonym isoxazole-5-carboxylic acid,5-isoxazolecarboxylic acid,isoxazole-5-carboxylicacid,5-carboxyisoxazole,pubchem8643,isoxazole-5-carboxylic,5-carboxy-1,2-oxazole,isoxazole 5-carboxylic acid,ksc207s2h
IUPAC Name 1,2-oxazole-5-carboxylic acid
InChI Key MIIQJAUWHSUTIT-UHFFFAOYSA-N
Molecular Formula C4H3NO3
6

3,4-Dimethylisoxazol-5-amine, 97%, Thermo Scientific™

CAS: 19947-75-2 Molecular Formula: C5H8N2O Molecular Weight (g/mol): 112.132 MDL Number: MFCD00046081 InChI Key: PYNDWPFZDQONDV-UHFFFAOYSA-N Synonym: 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660 PubChem CID: 88317 IUPAC Name: 3,4-dimethyl-1,2-oxazol-5-amine SMILES: CC1=C(ON=C1C)N

PubChem CID 88317
CAS 19947-75-2
Molecular Weight (g/mol) 112.132
MDL Number MFCD00046081
SMILES CC1=C(ON=C1C)N
Synonym 5-amino-3,4-dimethylisoxazole,3,4-dimethylisoxazol-5-amine,5-amino-3,4-dimethyl-isoxazole,5-isoxazolamine, 3,4-dimethyl,dimethyl-1,2-oxazol-5-amine,3,4-dimethyl-5-isoxazolamine,5-amino-3,4-dimethyl isoxazole,3,4-dimethylisoxazole-5-ylamine,3,4-dimethylisoxazol-5-ylamine,pubchem8660
IUPAC Name 3,4-dimethyl-1,2-oxazol-5-amine
InChI Key PYNDWPFZDQONDV-UHFFFAOYSA-N
Molecular Formula C5H8N2O
7

3-Phenylisoxazole-5-carboxylic acid, 97%, Thermo Scientific™

CAS: 14442-12-7 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD01936010 InChI Key: YGTFDJRCCBKLDM-UHFFFAOYSA-N Synonym: 3-phenylisoxazole-5-carboxylic acid,3-phenyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-phenyl,3-phenyl-isoxazole-5-carboxylic acid,phenylisoxazolecarboxylicacid,5-carboxy-3-phenylisoxazole,3-phenylisoxazole-5-carboxylic,3-phenyl-5-isoxazolecarboxylicacid,3-phenylisoxazole-5-carboxylicacid,3-phenyl-5-isoxazole carboxylic acid PubChem CID: 737474 IUPAC Name: 3-phenyl-1,2-oxazole-5-carboxylic acid SMILES: C1=CC=C(C=C1)C2=NOC(=C2)C(=O)O

PubChem CID 737474
CAS 14442-12-7
Molecular Weight (g/mol) 189.17
MDL Number MFCD01936010
SMILES C1=CC=C(C=C1)C2=NOC(=C2)C(=O)O
Synonym 3-phenylisoxazole-5-carboxylic acid,3-phenyl-5-isoxazolecarboxylic acid,5-isoxazolecarboxylic acid, 3-phenyl,3-phenyl-isoxazole-5-carboxylic acid,phenylisoxazolecarboxylicacid,5-carboxy-3-phenylisoxazole,3-phenylisoxazole-5-carboxylic,3-phenyl-5-isoxazolecarboxylicacid,3-phenylisoxazole-5-carboxylicacid,3-phenyl-5-isoxazole carboxylic acid
IUPAC Name 3-phenyl-1,2-oxazole-5-carboxylic acid
InChI Key YGTFDJRCCBKLDM-UHFFFAOYSA-N
Molecular Formula C10H7NO3
8

3-Methyl-5-(5-methylisoxazol-3-yl)isoxazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 849066-63-3 Molecular Formula: C9H8N2O4 Molecular Weight (g/mol): 208.173 MDL Number: MFCD01880302 InChI Key: ASBPDKJMOPNMLF-UHFFFAOYSA-N Synonym: 3-methyl-5-5-methylisoxazol-3-yl isoxazole-4-carboxylic acid,3-methyl-5-5-methyl-1,2-oxazol-3-yl-1,2-oxazole-4-carboxylic acid,3,5'-biisoxazole-4'-carboxylicacid, 3',5-dimethyl,maybridge3_007228,3',5-dimethyl-3,5'-biisoxazole-4'-carboxylic acid,3-methyl-5-5-methylisoxazol-3-yl-4-carboxylic acid PubChem CID: 2744621 IUPAC Name: 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid SMILES: CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)O

PubChem CID 2744621
CAS 849066-63-3
Molecular Weight (g/mol) 208.173
MDL Number MFCD01880302
SMILES CC1=CC(=NO1)C2=C(C(=NO2)C)C(=O)O
Synonym 3-methyl-5-5-methylisoxazol-3-yl isoxazole-4-carboxylic acid,3-methyl-5-5-methyl-1,2-oxazol-3-yl-1,2-oxazole-4-carboxylic acid,3,5'-biisoxazole-4'-carboxylicacid, 3',5-dimethyl,maybridge3_007228,3',5-dimethyl-3,5'-biisoxazole-4'-carboxylic acid,3-methyl-5-5-methylisoxazol-3-yl-4-carboxylic acid
IUPAC Name 3-methyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxylic acid
InChI Key ASBPDKJMOPNMLF-UHFFFAOYSA-N
Molecular Formula C9H8N2O4
9

3-(4-Methoxyphenyl)-5-methyl-4-isoxazolecarboxylic acid, 97%, Thermo Scientific™

CAS: 93041-45-3 Molecular Formula: C12H11NO4 Molecular Weight (g/mol): 233.22 MDL Number: MFCD03407357 InChI Key: IKDPECCMAKOJTK-UHFFFAOYSA-N Synonym: 3-4-methoxyphenyl-5-methylisoxazole-4-carboxylic acid,3-4-methoxyphenyl-5-methyl-4-isoxazolecarboxylic acid,3-4-methoxyphenyl-5-methyl-1,2-oxazole-4-carboxylic acid,4-isoxazolecarboxylicacid, 3-4-methoxyphenyl-5-methyl,4-isoxazolecarboxylicacid,3-4-methoxyphenyl-5-methyl,3-4-methoxyphenyl-5-methyl-4-isoxazole carboxylic acid,3-4-methoxyphenyl-5-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-4-methoxyphenyl-5-methyl PubChem CID: 2779764 IUPAC Name: 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid SMILES: COC1=CC=C(C=C1)C1=NOC(C)=C1C(O)=O

PubChem CID 2779764
CAS 93041-45-3
Molecular Weight (g/mol) 233.22
MDL Number MFCD03407357
SMILES COC1=CC=C(C=C1)C1=NOC(C)=C1C(O)=O
Synonym 3-4-methoxyphenyl-5-methylisoxazole-4-carboxylic acid,3-4-methoxyphenyl-5-methyl-4-isoxazolecarboxylic acid,3-4-methoxyphenyl-5-methyl-1,2-oxazole-4-carboxylic acid,4-isoxazolecarboxylicacid, 3-4-methoxyphenyl-5-methyl,4-isoxazolecarboxylicacid,3-4-methoxyphenyl-5-methyl,3-4-methoxyphenyl-5-methyl-4-isoxazole carboxylic acid,3-4-methoxyphenyl-5-methyl-isoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 3-4-methoxyphenyl-5-methyl
IUPAC Name 3-(4-methoxyphenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
InChI Key IKDPECCMAKOJTK-UHFFFAOYSA-N
Molecular Formula C12H11NO4
10

1,2-Benzisoxazol-3(2H)-one, 96%

CAS: 21725-69-9 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.122 MDL Number: MFCD00125030 InChI Key: QLDQYRDCPNBPII-UHFFFAOYSA-N Synonym: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC Name: 1,2-benzoxazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NO2

PubChem CID 210830
CAS 21725-69-9
Molecular Weight (g/mol) 135.122
MDL Number MFCD00125030
SMILES C1=CC=C2C(=C1)C(=O)NO2
Synonym benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone
IUPAC Name 1,2-benzoxazol-3-one
InChI Key QLDQYRDCPNBPII-UHFFFAOYSA-N
Molecular Formula C7H5NO2
11

4-(Bromomethyl)-3-methyl-5-phenylisoxazole, ≥95%, Thermo Scientific™

CAS: 113841-59-1 Molecular Formula: C11H10BrNO Molecular Weight (g/mol): 252.111 MDL Number: MFCD03086124 InChI Key: KCGVZUOBUPWFJC-UHFFFAOYSA-N PubChem CID: 2776518 IUPAC Name: 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole SMILES: CC1=NOC(=C1CBr)C2=CC=CC=C2

PubChem CID 2776518
CAS 113841-59-1
Molecular Weight (g/mol) 252.111
MDL Number MFCD03086124
SMILES CC1=NOC(=C1CBr)C2=CC=CC=C2
IUPAC Name 4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
InChI Key KCGVZUOBUPWFJC-UHFFFAOYSA-N
Molecular Formula C11H10BrNO
13

3,5-Dimethylisoxazole-4-boronic acid, 97%

CAS: 16114-47-9 Molecular Formula: C5H8BNO3 Molecular Weight (g/mol): 140.933 MDL Number: MFCD02677945 InChI Key: DIIFZCPZIRQDIJ-UHFFFAOYSA-N Synonym: 3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid PubChem CID: 2734346 IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid SMILES: B(C1=C(ON=C1C)C)(O)O

PubChem CID 2734346
CAS 16114-47-9
Molecular Weight (g/mol) 140.933
MDL Number MFCD02677945
SMILES B(C1=C(ON=C1C)C)(O)O
Synonym 3,5-dimethylisoxazole-4-boronic acid,3,5-dimethylisoxazol-4-yl boronic acid,3,5-dimethyl-4-isoxazolylboronic acid,3,5-dimethylisoxazol-4-ylboronic acid,3,5-dimethyl-1,2-oxazol-4-yl boronic acid,3,5-dimethylisoxazole-4-boronicacid,3,5-dimethyl-4-isoxazoleboronic acid,3,5-dimethylisoxazol-4-yl-4-boronic acid,3,5-dimethyl-isoxazole-4-boronic acid,dimethyl-1,2-oxazol-4-yl boronic acid
IUPAC Name (3,5-dimethyl-1,2-oxazol-4-yl)boronic acid
InChI Key DIIFZCPZIRQDIJ-UHFFFAOYSA-N
Molecular Formula C5H8BNO3
14

Benzo[d]isoxazol-3-ol, 96%, Thermo Scientific™

CAS: 21725-69-9 Molecular Formula: C7H5NO2 Molecular Weight (g/mol): 135.12 InChI Key: QLDQYRDCPNBPII-UHFFFAOYSA-N Synonym: benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone PubChem CID: 210830 IUPAC Name: 1,2-benzoxazol-3-one SMILES: C1=CC=C2C(=C1)C(=O)NO2

PubChem CID 210830
CAS 21725-69-9
Molecular Weight (g/mol) 135.12
SMILES C1=CC=C2C(=C1)C(=O)NO2
Synonym benzo d isoxazol-3-ol,1,2-benzisoxazol-3 2h-one,1,2-benzoxazol-3-ol,1,2-benzisoxazol-3-ol,3-hydroxybenzisoxazole,3-hydroxy-1,2-benzisoxazole,1,2-benzisoxazolin-3-one,1,2-benzisoxazol-3-ol 8ci,2h-1,2-benzoxazol-3-one,benzisoxazolone
IUPAC Name 1,2-benzoxazol-3-one
InChI Key QLDQYRDCPNBPII-UHFFFAOYSA-N
Molecular Formula C7H5NO2
15

5-Methyl-3-phenylisoxazole-4-carboxylic acid, 99%

CAS: 1136-45-4 Molecular Formula: C11H9NO3 Molecular Weight (g/mol): 203.197 MDL Number: MFCD00003153 InChI Key: PENHKTNQUJMHIR-UHFFFAOYSA-N Synonym: 5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid PubChem CID: 14343 IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O

PubChem CID 14343
CAS 1136-45-4
Molecular Weight (g/mol) 203.197
MDL Number MFCD00003153
SMILES CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)O
Synonym 5-methyl-3-phenylisoxazole-4-carboxylic acid,4-isoxazolecarboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-4-isoxazolecarboxylic acid,3-phenyl-5-methylisoxazol-4-carbonsaeure,3-phenyl-5-methylisoxazole-4-carboxylic acid,isoxazole-4-carboxylic acid, 5-methyl-3-phenyl,5-methyl-3-phenyl-isoxazole-4-carboxylic acid,5-methyl-3-phenylisoxazole-4-carboxylicacid,3-phenyl-5-methylisoxazol-4-carbonsaeure german,5-methyl-3-phenyl-4-isooxazolic acid
IUPAC Name 5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid
InChI Key PENHKTNQUJMHIR-UHFFFAOYSA-N
Molecular Formula C11H9NO3